1-[4-(6-aminopurin-9-yl)phenyl]-3-[5-tert-butyl-2-(4-propan-2-ylphenyl)pyrazol-3-yl]urea

Systemtic Name: 1-[4-(6-aminopurin-9-yl)phenyl]-3-[5-tert-butyl-2-(4-propan-2-ylphenyl)pyrazol-3-yl]urea Openeye Name: 1-[4-(6-aminopurin-9-yl)phenyl]-3-[5-tert-butyl-2-(4-isopropylphenyl)pyrazol-3-yl]urea CAS Name: 1-[4-(6-aminopurin-9-yl)phenyl]-3-[5-tert-butyl-2-(4-propan-2-ylphenyl)-3-pyrazolyl]urea IUPAC Name: 1-[4-(6-aminopurin-9-yl)phenyl]-3-[5-tert-butyl-2-(4-propan-2-ylphenyl)pyrazol-3-yl]urea Traditional Name: 1-(4-adenin-9-ylphenyl)-3-(5-tert-butyl-2-p-cumenyl-pyrazol-3-yl)urea Formula: C28H31N9O MolecularWeight: 509.60544

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC=C(C=C1)N2C(=CC(=N2)C(C)(C)C)NC(=O)NC3=CC=C(C=C3)N4C=NC5=C4N=CN=C5N

Isomeric SMILES

CC(C)C1=CC=C(C=C1)N2C(=CC(=N2)C(C)(C)C)NC(=O)NC3=CC=C(C=C3)N4C=NC5=C4N=CN=C5N

InChI

InChI=1S/C28H31N9O/c1-17(2)18-6-10-21(11-7-18)37-23(14-22(35-37)28(3,4)5)34-27(38)33-19-8-12-20(13-9-19)36-16-32-24-25(29)30-15-31-26(24)36/h6-17H,1-5H3,(H2,29,30,31)(H2,33,34,38)